5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione

C9H10N4O3 — CID 60734828

IUPAC5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2cc(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H10N4O3/c1-5-3-13(9(15)11-8(5)14)4-7-10-6(2)12-16-7/h3H,4H2,1-2H3,(H,11,14,15)
InChIKeyQDRHTJKYHQSTIC-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.42
Rot. Bonds2

About 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione

5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 60734828) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID60734828
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2cc(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H10N4O3/c1-5-3-13(9(15)11-8(5)14)4-7-10-6(2)12-16-7/h3H,4H2,1-2H3,(H,11,14,15)
InChIKeyQDRHTJKYHQSTIC-UHFFFAOYSA-N
XLogP-0.42
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 60734828) is 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is Cc1noc(Cn2cc(C)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is QDRHTJKYHQSTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-3-13(9(15)11-8(5)14)4-7-10-6(2)12-16-7/h3H,4H2,1-2H3,(H,11,14,15).
What are the key properties of 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60734828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).